Geometry & MOs

Info

ID:	122827
PubChem CID:	50823185
Reduced:	FSN3O3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	425.098017
ΔH_f, kcal/mol:	-54.3
Dipole, Da:	4.0
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations